SCHEMBL9769802

SCHEMBL9769802

O=C(Oc1cccc(C2CCCCC2)c1)c1ccccc1Oc1cccc(C2CCCCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SCN1A P35498 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
KDM4E B2RXH2 1/20 0.41
MAPT P10636 2/20 0.40
ACHE P22303 1/20 0.40
HTT P42858 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CTNNB1 P35222 1/20 0.38
KMT2A Q03164 3/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9769807 0.88 SCN1A (0.42) KMOCYP1A2CYP3A4GAACYP2C9
SCHEMBL9769792 0.83 CASP1 (0.48) CYP1A2CYP3A4CYP2C9CYP2C19SCN1A
SCHEMBL1792243 0.76 KMO (0.54) KMOCYP3A4KDM4EMAPTACHE
SCHEMBL1790397 0.75 KMO (0.66) KMOMAPTHDAC4HDAC2HDAC8
SCHEMBL9850074 0.74 CYP2C19 (0.69) CYP1A2CYP3A4GAACYP2C9CYP2C19
SCHEMBL11420782 0.74 HTR1A (0.44) KMOHDAC4HDAC2HDAC8
SCHEMBL11323409 0.74 ALDH1A1 (0.46) KMOKDM4EMAPTHTTHDAC8
SCHEMBL1787633 0.74 CYP3A4 (0.53) KMOCYP3A4KDM4EACHEHTT
SCHEMBL14775523 0.73 KMO (0.51) KMOCYP1A2CYP3A4CYP2C19ACHE
SCHEMBL9391575 0.73 CETP (0.50) KMOGAAMAPTHTTHDAC4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4999333-A For facsimile and thermal printing FUJI PHOTO FILM CO., LTD. (JP) 1991-03-12 US disclosed